CAS 898789-78-1
:4-[3-(2,5-dihydropyrrol-1-ylmethyl)benzoyl]benzonitrile
Description:
4-[3-(2,5-Dihydropyrrol-1-ylmethyl)benzoyl]benzonitrile, identified by its CAS number 898789-78-1, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzoyl group and a benzonitrile moiety. The presence of the 2,5-dihydropyrrol-1-ylmethyl group suggests potential for biological activity, as pyrrole derivatives are often associated with various pharmacological properties. This compound is likely to exhibit moderate to high lipophilicity due to its aromatic components, which can influence its solubility and permeability in biological systems. Additionally, the nitrile functional group may contribute to its reactivity and potential interactions with biological targets. The compound's synthesis and characterization would typically involve techniques such as NMR spectroscopy, mass spectrometry, and possibly X-ray crystallography to confirm its structure. Overall, this compound may be of interest in medicinal chemistry and drug development, particularly in the exploration of new therapeutic agents.
Formula:C19H16N2O
InChI:InChI=1/C19H16N2O/c20-13-15-6-8-17(9-7-15)19(22)18-5-3-4-16(12-18)14-21-10-1-2-11-21/h1-9,12H,10-11,14H2
SMILES:C1=CCN(C1)Cc1cccc(c1)C(=O)c1ccc(cc1)C#N
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